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DOI: 10.19061/iochem-bd-6-522
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Collection's Items (Sorted by Submit Date in Descending order): 1521 to 1540 of 4380
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2025 | /clean surface_584 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.98840909; eV | |||
 | 9-Apr-2025 | /clean surface_585 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -424.06350905; eV | |||
 | 9-Apr-2025 | /clean surface_586 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.64203797; eV | |||
 | 9-Apr-2025 | /clean surface_587 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.91612630; eV | |||
 | 9-Apr-2025 | /clean surface_588 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.50394755; eV | |||
 | 9-Apr-2025 | /clean surface_589 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01953861; eV | |||
 | 9-Apr-2025 | /clean surface_59 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.68652783; eV | |||
 | 9-Apr-2025 | /clean surface_590 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.78973265; eV | |||
 | 9-Apr-2025 | /clean surface_591 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.38899666; eV | |||
 | 9-Apr-2025 | /clean surface_592 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.81937051; eV | |||
 | 9-Apr-2025 | /clean surface_593 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.66176561; eV | |||
 | 9-Apr-2025 | /clean surface_594 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -421.53859083; eV | |||
 | 9-Apr-2025 | /clean surface_595 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.09171745; eV | |||
 | 9-Apr-2025 | /clean surface_596 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.24880836; eV | |||
 | 9-Apr-2025 | /clean surface_597 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.01789796; eV | |||
 | 9-Apr-2025 | /clean surface_598 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.94897065; eV | |||
 | 9-Apr-2025 | /clean surface_599 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -422.71477976; eV | |||
 | 9-Apr-2025 | /clean surface_6 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.25461695; eV | |||
 | 9-Apr-2025 | /clean surface_60 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.73869405; eV | |||
 | 9-Apr-2025 | /clean surface_600 | Song, Haohong | vasp; 6.3.2; 27Jun22 (build Feb 11 2023 09:31:23) complex | Single point | DFT | - | -423.07954419; eV |
Collection's Items (Sorted by Submit Date in Descending order): 1521 to 1540 of 4380
